Basic information
- CAS
7492-67-3- Standard SMILES
CC(C)=CCCC(C)CCOCC=O- InChIKey
LMETVDMCIJNNKH-UHFFFAOYSA-N- Molecular formula
- C12H22O2
- Average molar mass
- 198.3 g/mol
- Monoisotopic mass
- 198.16197994
Overview
[(3,7-Dimethyl-6-octenyl)oxy]acetaldehyde is a monoterpenoid.
Names & identifiers
- Preferred name
- Citronelloxyacetaldehyde
- IUPAC
- 2-(3,7-dimethyloct-6-enoxy)acetaldehyde
- English name
- FEMA 2310
- Molecular formula
- C12H22O2
- Molecular weight
- 198.3
Names & synonyms
Citronellyloxyacetaldehyde7492-67-3CITRONELLOXYACETALDEHYDEMuget aldehyde6,10-Dimethyl-3-oxa-9-undecenalMuguet aldehydeFEMA No. 2310[(3,7-dimethyl-6-octenyl)oxy]acetaldehyde((3,7-Dimethyl-6-octenyl)oxy)acetaldehydecitronellyl oxyacetaldehydeEINECS 231-324-2UNII-6PS292RE8D
Show more names
FEMA 2310MUGENAL 50 IN DPGMUGUET ALDEHYDE 50FEMA 2310 USP/EP/BPMUGUET ALDEHYDE 50 BBMUGUET ALDEHYDE 50% IN B.B.MUGUET ALDEHYDE 50% IN D.E.P.
NSC 46126BRN 1767678MUGENAL6PS292RE8DAI3-36126NSC-461262-[(3,7-dimethyloct-6-en-1-yl)oxy]acetaldehydeAcetaldehyde, 2-((3,7-dimethyl-6-octen-1-yl)oxy)-
Database identifiers
- CAS
7492-67-3- PubChem CID
- 61401
- DTXSID
DTXSID7052492- ChEMBL
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 169
Experimental & physicochemical properties
FragrancesFragrance Ingredient (Citronelloxyacetaldehyde) -> IFRA transparency List
LogP3.260
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.922 (20 °C)
Flavoring AgentsEU Flavoring substances
Solubility
insoluble in water; soluble in alcohol
(in ethanol)
Boiling Point
130.00 °C. @ 12.00 mm Hg
239 °C; 130 °C (12 mm Hg)
Refractive Index1.461-1.471
Physical Descriptioncolourless viscous liquid with strong floral odour
Physicochemical properties
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 96.6% (1524 of 1577) of all reports.
Not Classified
Aggregated GHS information provided per 1577 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Acetaldehyde, [(3,7-dimethyl-6-octenyl)oxy]-
REACH registered substance: [(3,7-dimethyl-6-octenyl)oxy]acetaldehyde (EC: 231-324-2)
Acetaldehyde, (3,7-dimethyl-6-octenyl)oxy-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- Toxicity
- Both the acute oral LD50 value in rats and the acute dermal LD50 value in rabbits exceeded 5 g/kg (Moreno, 1973).
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H317-H319-H315-H411
- REACH Registrations
- Active
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Uses & manufacturing
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing InformationAcetaldehyde, 2-[(3,7-dimethyl-6-octen-1-yl)oxy]-: ACTIVE
Applications
OccurrenceHas apparently not been reported to occur in nature.
UsesFEMA 2310 is used as food flavorings.
Preparation methods
PreparationInteraction of bromoacetals with sodium or potassium alcoholates.
Upstream & downstream products
Upstream raw materials
Suppliers11 total
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
Shaanxi Haibo Biotechnology Co., Ltd+86-18629295024 · [email protected]
Related reactions
4 records
Compound notes
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